USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 597 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 50 ASN : amide:sc= 1.2 K(o=3.8,f=1.5) USER MOD Set 1.2: A 53 ASN : amide:sc= 0.645 X(o=3.8,f=3.7) USER MOD Set 1.3: A 55 THR OG1 : rot 108:sc= 0.763 USER MOD Set 1.4: A 58 THR OG1 : rot 107:sc= 1.16 USER MOD Set 1.5: A 68 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 21 LYS NZ :NH3+ -173:sc= 2.32 (180deg=1.15) USER MOD Set 2.2: A 25 THR OG1 : rot 78:sc= 2.36 USER MOD Set 2.3: A 31 TYR OH : rot -175:sc= 0.991 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot -105:sc= 0.213 USER MOD Single : A 10 THR OG1 : rot 19:sc= -0.485 USER MOD Single : A 11 THR OG1 : rot -14:sc= 0.603 USER MOD Single : A 12 SER OG : rot -80:sc= 1.05 USER MOD Single : A 16 TYR OH : rot -131:sc= 0.187 USER MOD Single : A 22 THR OG1 : rot 70:sc= 1.19 USER MOD Single : A 27 ASN : amide:sc= 1.07 K(o=1.1,f=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.0169 X(o=-0.017,f=0) USER MOD Single : A 39 ASN : amide:sc= 1.25 K(o=1.3,f=-2.5!) USER MOD Single : A 48 SER OG : rot 79:sc= 0.519 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 85:sc= 1.23 USER MOD Single : A 66 THR OG1 : rot 140:sc= 0.00686 USER MOD Single : A 69 ASN : amide:sc= -0.0874 K(o=-0.087,f=-1.9!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -179:sc= 1.32 (180deg=1.26) USER MOD Single : A 81 LYS NZ :NH3+ -138:sc= -0.761 (180deg=-2.78!) USER MOD ----------------------------------------------------------------- ATOM 60 N ALA A 5 6.157 3.591 5.408 1.00 0.00 N ATOM 61 CA ALA A 5 6.550 4.254 4.175 1.00 0.00 C ATOM 62 C ALA A 5 5.526 3.983 3.078 1.00 0.00 C ATOM 63 O ALA A 5 5.681 4.413 1.929 1.00 0.00 O ATOM 64 CB ALA A 5 7.928 3.792 3.764 1.00 0.00 C ATOM 0 HA ALA A 5 6.584 5.331 4.340 1.00 0.00 H new ATOM 0 HB1 ALA A 5 8.218 4.291 2.840 1.00 0.00 H new ATOM 0 HB2 ALA A 5 8.643 4.037 4.549 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.918 2.714 3.606 1.00 0.00 H new ATOM 70 N LEU A 6 4.506 3.249 3.446 1.00 0.00 N ATOM 71 CA LEU A 6 3.424 2.906 2.583 1.00 0.00 C ATOM 72 C LEU A 6 2.137 2.835 3.363 1.00 0.00 C ATOM 73 O LEU A 6 2.057 2.193 4.418 1.00 0.00 O ATOM 74 CB LEU A 6 3.645 1.583 1.811 1.00 0.00 C ATOM 75 CG LEU A 6 4.137 0.364 2.586 1.00 0.00 C ATOM 76 CD1 LEU A 6 3.804 -0.901 1.820 1.00 0.00 C ATOM 77 CD2 LEU A 6 5.640 0.426 2.789 1.00 0.00 C ATOM 0 H LEU A 6 4.411 2.866 4.386 1.00 0.00 H new ATOM 0 HA LEU A 6 3.367 3.698 1.836 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.702 1.315 1.335 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.361 1.780 1.013 1.00 0.00 H new ATOM 0 HG LEU A 6 3.642 0.358 3.557 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.158 -1.768 2.378 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.725 -0.972 1.686 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.290 -0.874 0.845 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.969 -0.453 3.344 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.137 0.450 1.819 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.895 1.325 3.350 1.00 0.00 H new ATOM 89 N THR A 7 1.174 3.513 2.870 1.00 0.00 N ATOM 90 CA THR A 7 -0.131 3.519 3.414 1.00 0.00 C ATOM 91 C THR A 7 -0.989 2.623 2.511 1.00 0.00 C ATOM 92 O THR A 7 -1.096 2.865 1.313 1.00 0.00 O ATOM 93 CB THR A 7 -0.677 4.963 3.409 1.00 0.00 C ATOM 94 OG1 THR A 7 0.292 5.854 4.014 1.00 0.00 O ATOM 95 CG2 THR A 7 -1.972 5.048 4.183 1.00 0.00 C ATOM 0 H THR A 7 1.275 4.103 2.044 1.00 0.00 H new ATOM 0 HA THR A 7 -0.142 3.154 4.441 1.00 0.00 H new ATOM 0 HB THR A 7 -0.860 5.256 2.375 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.057 6.770 4.008 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.339 6.074 4.167 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.712 4.391 3.727 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.800 4.741 5.215 1.00 0.00 H new ATOM 103 N ILE A 8 -1.548 1.589 3.063 1.00 0.00 N ATOM 104 CA ILE A 8 -2.311 0.639 2.287 1.00 0.00 C ATOM 105 C ILE A 8 -3.762 0.757 2.622 1.00 0.00 C ATOM 106 O ILE A 8 -4.149 0.740 3.796 1.00 0.00 O ATOM 107 CB ILE A 8 -1.840 -0.821 2.526 1.00 0.00 C ATOM 108 CG1 ILE A 8 -0.405 -0.997 2.043 1.00 0.00 C ATOM 109 CG2 ILE A 8 -2.772 -1.841 1.846 1.00 0.00 C ATOM 110 CD1 ILE A 8 0.113 -2.393 2.217 1.00 0.00 C ATOM 0 H ILE A 8 -1.493 1.374 4.059 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.150 0.873 1.235 1.00 0.00 H new ATOM 0 HB ILE A 8 -1.879 -1.012 3.598 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.348 -0.725 0.989 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.241 -0.307 2.586 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.408 -2.850 2.037 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.780 -1.737 2.247 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.789 -1.659 0.771 1.00 0.00 H new ATOM 0 HD11 ILE A 8 1.139 -2.448 1.853 1.00 0.00 H new ATOM 0 HD12 ILE A 8 0.087 -2.662 3.273 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.510 -3.086 1.651 1.00 0.00 H new ATOM 122 N TYR A 9 -4.558 0.895 1.617 1.00 0.00 N ATOM 123 CA TYR A 9 -5.955 0.968 1.817 1.00 0.00 C ATOM 124 C TYR A 9 -6.521 -0.434 1.988 1.00 0.00 C ATOM 125 O TYR A 9 -6.221 -1.330 1.202 1.00 0.00 O ATOM 126 CB TYR A 9 -6.623 1.781 0.712 1.00 0.00 C ATOM 127 CG TYR A 9 -6.137 3.220 0.667 1.00 0.00 C ATOM 128 CD1 TYR A 9 -6.670 4.174 1.515 1.00 0.00 C ATOM 129 CD2 TYR A 9 -5.133 3.613 -0.204 1.00 0.00 C ATOM 130 CE1 TYR A 9 -6.220 5.480 1.500 1.00 0.00 C ATOM 131 CE2 TYR A 9 -4.678 4.915 -0.231 1.00 0.00 C ATOM 132 CZ TYR A 9 -5.225 5.844 0.626 1.00 0.00 C ATOM 133 OH TYR A 9 -4.770 7.136 0.617 1.00 0.00 O ATOM 0 H TYR A 9 -4.257 0.959 0.644 1.00 0.00 H new ATOM 0 HA TYR A 9 -6.174 1.507 2.739 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.430 1.306 -0.250 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -7.703 1.771 0.861 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -7.454 3.892 2.203 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.699 2.886 -0.874 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -6.648 6.210 2.171 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -3.898 5.204 -0.920 1.00 0.00 H new ATOM 0 HH TYR A 9 -5.122 7.601 -0.170 1.00 0.00 H new ATOM 143 N THR A 10 -7.293 -0.638 3.047 1.00 0.00 N ATOM 144 CA THR A 10 -7.794 -1.955 3.375 1.00 0.00 C ATOM 145 C THR A 10 -9.257 -1.938 3.787 1.00 0.00 C ATOM 146 O THR A 10 -9.734 -0.969 4.394 1.00 0.00 O ATOM 147 CB THR A 10 -6.972 -2.587 4.524 1.00 0.00 C ATOM 148 OG1 THR A 10 -6.835 -1.642 5.624 1.00 0.00 O ATOM 149 CG2 THR A 10 -5.600 -3.036 4.051 1.00 0.00 C ATOM 0 H THR A 10 -7.583 0.097 3.692 1.00 0.00 H new ATOM 0 HA THR A 10 -7.696 -2.548 2.466 1.00 0.00 H new ATOM 0 HB THR A 10 -7.512 -3.469 4.870 1.00 0.00 H new ATOM 0 HG1 THR A 10 -7.521 -0.946 5.545 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.053 -3.474 4.886 1.00 0.00 H new ATOM 0 HG22 THR A 10 -5.712 -3.778 3.261 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.049 -2.178 3.667 1.00 0.00 H new ATOM 157 N THR A 11 -9.953 -2.994 3.438 1.00 0.00 N ATOM 158 CA THR A 11 -11.301 -3.243 3.865 1.00 0.00 C ATOM 159 C THR A 11 -11.374 -4.729 4.150 1.00 0.00 C ATOM 160 O THR A 11 -10.511 -5.490 3.676 1.00 0.00 O ATOM 161 CB THR A 11 -12.364 -2.903 2.776 1.00 0.00 C ATOM 162 OG1 THR A 11 -12.108 -3.648 1.586 1.00 0.00 O ATOM 163 CG2 THR A 11 -12.411 -1.421 2.447 1.00 0.00 C ATOM 0 H THR A 11 -9.581 -3.724 2.830 1.00 0.00 H new ATOM 0 HA THR A 11 -11.524 -2.614 4.727 1.00 0.00 H new ATOM 0 HB THR A 11 -13.335 -3.179 3.188 1.00 0.00 H new ATOM 0 HG1 THR A 11 -11.207 -4.031 1.627 1.00 0.00 H new ATOM 0 HG21 THR A 11 -13.168 -1.242 1.683 1.00 0.00 H new ATOM 0 HG22 THR A 11 -12.661 -0.857 3.345 1.00 0.00 H new ATOM 0 HG23 THR A 11 -11.438 -1.100 2.076 1.00 0.00 H new ATOM 171 N SER A 12 -12.352 -5.154 4.882 1.00 0.00 N ATOM 172 CA SER A 12 -12.520 -6.554 5.172 1.00 0.00 C ATOM 173 C SER A 12 -13.312 -7.248 4.061 1.00 0.00 C ATOM 174 O SER A 12 -13.545 -8.450 4.101 1.00 0.00 O ATOM 175 CB SER A 12 -13.177 -6.744 6.548 1.00 0.00 C ATOM 176 OG SER A 12 -14.401 -6.007 6.667 1.00 0.00 O ATOM 0 H SER A 12 -13.059 -4.548 5.298 1.00 0.00 H new ATOM 0 HA SER A 12 -11.537 -7.023 5.210 1.00 0.00 H new ATOM 0 HB2 SER A 12 -13.375 -7.803 6.712 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.485 -6.425 7.327 1.00 0.00 H new ATOM 0 HG SER A 12 -14.200 -5.068 6.864 1.00 0.00 H new ATOM 182 N TRP A 13 -13.703 -6.472 3.060 1.00 0.00 N ATOM 183 CA TRP A 13 -14.528 -6.970 1.973 1.00 0.00 C ATOM 184 C TRP A 13 -13.678 -7.745 0.975 1.00 0.00 C ATOM 185 O TRP A 13 -14.145 -8.693 0.333 1.00 0.00 O ATOM 186 CB TRP A 13 -15.207 -5.805 1.235 1.00 0.00 C ATOM 187 CG TRP A 13 -15.894 -4.802 2.123 1.00 0.00 C ATOM 188 CD1 TRP A 13 -16.527 -5.034 3.309 1.00 0.00 C ATOM 189 CD2 TRP A 13 -16.035 -3.402 1.864 1.00 0.00 C ATOM 190 NE1 TRP A 13 -17.024 -3.865 3.812 1.00 0.00 N ATOM 191 CE2 TRP A 13 -16.743 -2.849 2.942 1.00 0.00 C ATOM 192 CE3 TRP A 13 -15.623 -2.562 0.826 1.00 0.00 C ATOM 193 CZ2 TRP A 13 -17.049 -1.494 3.014 1.00 0.00 C ATOM 194 CZ3 TRP A 13 -15.929 -1.219 0.899 1.00 0.00 C ATOM 195 CH2 TRP A 13 -16.637 -0.699 1.988 1.00 0.00 C ATOM 0 H TRP A 13 -13.458 -5.485 2.980 1.00 0.00 H new ATOM 0 HA TRP A 13 -15.286 -7.625 2.402 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -14.456 -5.286 0.639 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -15.940 -6.214 0.539 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -16.621 -6.001 3.781 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -17.525 -3.766 4.695 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -15.076 -2.957 -0.017 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -17.594 -1.087 3.853 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -15.617 -0.559 0.103 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -16.862 0.357 2.016 1.00 0.00 H new ATOM 206 N CYS A 14 -12.441 -7.349 0.851 1.00 0.00 N ATOM 207 CA CYS A 14 -11.553 -7.935 -0.119 1.00 0.00 C ATOM 208 C CYS A 14 -10.527 -8.867 0.524 1.00 0.00 C ATOM 209 O CYS A 14 -9.891 -8.525 1.539 1.00 0.00 O ATOM 210 CB CYS A 14 -10.870 -6.826 -0.909 1.00 0.00 C ATOM 211 SG CYS A 14 -10.118 -5.536 0.141 1.00 0.00 S ATOM 0 H CYS A 14 -12.019 -6.613 1.417 1.00 0.00 H new ATOM 0 HA CYS A 14 -12.144 -8.552 -0.796 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -10.097 -7.264 -1.541 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -11.599 -6.362 -1.573 1.00 0.00 H new ATOM 216 N GLY A 15 -10.388 -10.041 -0.054 1.00 0.00 N ATOM 217 CA GLY A 15 -9.433 -11.005 0.415 1.00 0.00 C ATOM 218 C GLY A 15 -8.076 -10.798 -0.215 1.00 0.00 C ATOM 219 O GLY A 15 -7.050 -11.100 0.391 1.00 0.00 O ATOM 0 H GLY A 15 -10.935 -10.347 -0.859 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.346 -10.933 1.499 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -9.790 -12.010 0.190 1.00 0.00 H new ATOM 223 N TYR A 16 -8.057 -10.242 -1.427 1.00 0.00 N ATOM 224 CA TYR A 16 -6.800 -9.983 -2.126 1.00 0.00 C ATOM 225 C TYR A 16 -5.997 -8.930 -1.380 1.00 0.00 C ATOM 226 O TYR A 16 -4.764 -9.012 -1.305 1.00 0.00 O ATOM 227 CB TYR A 16 -7.027 -9.565 -3.597 1.00 0.00 C ATOM 228 CG TYR A 16 -5.738 -9.231 -4.340 1.00 0.00 C ATOM 229 CD1 TYR A 16 -4.857 -10.231 -4.739 1.00 0.00 C ATOM 230 CD2 TYR A 16 -5.399 -7.913 -4.621 1.00 0.00 C ATOM 231 CE1 TYR A 16 -3.677 -9.923 -5.392 1.00 0.00 C ATOM 232 CE2 TYR A 16 -4.224 -7.595 -5.279 1.00 0.00 C ATOM 233 CZ TYR A 16 -3.365 -8.604 -5.660 1.00 0.00 C ATOM 234 OH TYR A 16 -2.184 -8.298 -6.313 1.00 0.00 O ATOM 0 H TYR A 16 -8.893 -9.964 -1.942 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.233 -10.914 -2.147 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -7.540 -10.372 -4.121 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -7.687 -8.698 -3.622 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.098 -11.264 -4.536 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.067 -7.120 -4.319 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -3.002 -10.711 -5.691 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -3.982 -6.564 -5.492 1.00 0.00 H new ATOM 0 HH TYR A 16 -1.713 -7.592 -5.823 1.00 0.00 H new ATOM 244 N CYS A 17 -6.709 -7.965 -0.805 1.00 0.00 N ATOM 245 CA CYS A 17 -6.100 -6.928 0.006 1.00 0.00 C ATOM 246 C CYS A 17 -5.309 -7.575 1.142 1.00 0.00 C ATOM 247 O CYS A 17 -4.140 -7.266 1.358 1.00 0.00 O ATOM 248 CB CYS A 17 -7.181 -6.032 0.598 1.00 0.00 C ATOM 249 SG CYS A 17 -8.275 -5.288 -0.636 1.00 0.00 S ATOM 0 H CYS A 17 -7.722 -7.884 -0.891 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.435 -6.330 -0.617 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.781 -6.616 1.296 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.706 -5.238 1.174 1.00 0.00 H new ATOM 254 N LEU A 18 -5.953 -8.547 1.800 1.00 0.00 N ATOM 255 CA LEU A 18 -5.385 -9.264 2.920 1.00 0.00 C ATOM 256 C LEU A 18 -4.200 -10.116 2.472 1.00 0.00 C ATOM 257 O LEU A 18 -3.199 -10.199 3.175 1.00 0.00 O ATOM 258 CB LEU A 18 -6.489 -10.108 3.609 1.00 0.00 C ATOM 259 CG LEU A 18 -6.111 -10.902 4.884 1.00 0.00 C ATOM 260 CD1 LEU A 18 -7.355 -11.177 5.689 1.00 0.00 C ATOM 261 CD2 LEU A 18 -5.461 -12.240 4.543 1.00 0.00 C ATOM 0 H LEU A 18 -6.895 -8.852 1.557 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.000 -8.553 3.651 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.310 -9.438 3.864 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.873 -10.817 2.876 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.401 -10.299 5.450 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.091 -11.736 6.587 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.821 -10.233 5.973 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.054 -11.761 5.090 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.210 -12.768 5.463 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.155 -12.843 3.957 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.553 -12.067 3.965 1.00 0.00 H new ATOM 273 N ARG A 19 -4.315 -10.732 1.307 1.00 0.00 N ATOM 274 CA ARG A 19 -3.234 -11.567 0.760 1.00 0.00 C ATOM 275 C ARG A 19 -1.936 -10.786 0.593 1.00 0.00 C ATOM 276 O ARG A 19 -0.893 -11.169 1.137 1.00 0.00 O ATOM 277 CB ARG A 19 -3.621 -12.199 -0.570 1.00 0.00 C ATOM 278 CG ARG A 19 -4.644 -13.313 -0.477 1.00 0.00 C ATOM 279 CD ARG A 19 -4.874 -13.941 -1.841 1.00 0.00 C ATOM 280 NE ARG A 19 -3.608 -14.404 -2.448 1.00 0.00 N ATOM 281 CZ ARG A 19 -3.484 -15.336 -3.397 1.00 0.00 C ATOM 282 NH1 ARG A 19 -4.514 -16.107 -3.726 1.00 0.00 N ATOM 283 NH2 ARG A 19 -2.305 -15.535 -3.962 1.00 0.00 N ATOM 0 H ARG A 19 -5.143 -10.676 0.714 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.070 -12.360 1.489 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.013 -11.420 -1.225 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.721 -12.591 -1.044 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.301 -14.072 0.226 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.583 -12.920 -0.088 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.560 -14.782 -1.744 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.350 -13.216 -2.500 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.748 -13.971 -2.110 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.410 -15.990 -3.253 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -4.409 -16.816 -4.452 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -1.500 -14.979 -3.672 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.200 -16.244 -4.687 1.00 0.00 H new ATOM 297 N LEU A 20 -2.008 -9.674 -0.125 1.00 0.00 N ATOM 298 CA LEU A 20 -0.833 -8.830 -0.360 1.00 0.00 C ATOM 299 C LEU A 20 -0.307 -8.296 0.972 1.00 0.00 C ATOM 300 O LEU A 20 0.902 -8.253 1.218 1.00 0.00 O ATOM 301 CB LEU A 20 -1.195 -7.659 -1.291 1.00 0.00 C ATOM 302 CG LEU A 20 -0.126 -6.557 -1.521 1.00 0.00 C ATOM 303 CD1 LEU A 20 1.010 -6.988 -2.460 1.00 0.00 C ATOM 304 CD2 LEU A 20 -0.777 -5.276 -2.003 1.00 0.00 C ATOM 0 H LEU A 20 -2.866 -9.331 -0.557 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.057 -9.428 -0.838 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.462 -8.074 -2.263 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.089 -7.180 -0.893 1.00 0.00 H new ATOM 0 HG LEU A 20 0.342 -6.377 -0.553 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.719 -6.168 -2.574 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.521 -7.854 -2.039 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.597 -7.249 -3.435 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.012 -4.515 -2.159 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.298 -5.464 -2.942 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.489 -4.926 -1.256 1.00 0.00 H new ATOM 316 N LYS A 21 -1.243 -7.932 1.824 1.00 0.00 N ATOM 317 CA LYS A 21 -0.987 -7.404 3.150 1.00 0.00 C ATOM 318 C LYS A 21 -0.145 -8.416 3.959 1.00 0.00 C ATOM 319 O LYS A 21 0.866 -8.055 4.582 1.00 0.00 O ATOM 320 CB LYS A 21 -2.348 -7.171 3.808 1.00 0.00 C ATOM 321 CG LYS A 21 -2.353 -6.361 5.061 1.00 0.00 C ATOM 322 CD LYS A 21 -3.768 -6.193 5.579 1.00 0.00 C ATOM 323 CE LYS A 21 -3.821 -5.293 6.799 1.00 0.00 C ATOM 324 NZ LYS A 21 -3.007 -5.797 7.926 1.00 0.00 N ATOM 0 H LYS A 21 -2.237 -7.998 1.606 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.426 -6.471 3.108 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.998 -6.681 3.083 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.791 -8.142 4.028 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.738 -6.847 5.818 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.911 -5.383 4.871 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.395 -5.775 4.792 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.181 -7.170 5.830 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.473 -4.297 6.524 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.857 -5.191 7.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.175 -5.208 8.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.273 -6.781 8.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.999 -5.757 7.671 1.00 0.00 H new ATOM 338 N THR A 22 -0.538 -9.680 3.882 1.00 0.00 N ATOM 339 CA THR A 22 0.137 -10.779 4.558 1.00 0.00 C ATOM 340 C THR A 22 1.585 -10.926 4.046 1.00 0.00 C ATOM 341 O THR A 22 2.531 -11.074 4.843 1.00 0.00 O ATOM 342 CB THR A 22 -0.648 -12.100 4.328 1.00 0.00 C ATOM 343 OG1 THR A 22 -1.993 -11.935 4.804 1.00 0.00 O ATOM 344 CG2 THR A 22 -0.002 -13.272 5.054 1.00 0.00 C ATOM 0 H THR A 22 -1.349 -9.975 3.338 1.00 0.00 H new ATOM 0 HA THR A 22 0.171 -10.563 5.626 1.00 0.00 H new ATOM 0 HB THR A 22 -0.640 -12.318 3.260 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.473 -11.312 4.219 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.580 -14.178 4.869 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.016 -13.410 4.689 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.021 -13.069 6.125 1.00 0.00 H new ATOM 352 N ALA A 23 1.743 -10.833 2.733 1.00 0.00 N ATOM 353 CA ALA A 23 3.038 -10.937 2.076 1.00 0.00 C ATOM 354 C ALA A 23 3.987 -9.864 2.571 1.00 0.00 C ATOM 355 O ALA A 23 5.128 -10.149 2.945 1.00 0.00 O ATOM 356 CB ALA A 23 2.864 -10.815 0.576 1.00 0.00 C ATOM 0 H ALA A 23 0.968 -10.682 2.088 1.00 0.00 H new ATOM 0 HA ALA A 23 3.466 -11.910 2.316 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.836 -10.893 0.089 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.214 -11.614 0.219 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.417 -9.850 0.339 1.00 0.00 H new ATOM 362 N LEU A 24 3.503 -8.644 2.600 1.00 0.00 N ATOM 363 CA LEU A 24 4.299 -7.501 3.022 1.00 0.00 C ATOM 364 C LEU A 24 4.667 -7.607 4.492 1.00 0.00 C ATOM 365 O LEU A 24 5.774 -7.245 4.884 1.00 0.00 O ATOM 366 CB LEU A 24 3.537 -6.215 2.759 1.00 0.00 C ATOM 367 CG LEU A 24 3.073 -6.012 1.321 1.00 0.00 C ATOM 368 CD1 LEU A 24 2.270 -4.755 1.210 1.00 0.00 C ATOM 369 CD2 LEU A 24 4.245 -5.979 0.353 1.00 0.00 C ATOM 0 H LEU A 24 2.547 -8.410 2.333 1.00 0.00 H new ATOM 0 HA LEU A 24 5.223 -7.492 2.444 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.664 -6.190 3.411 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.170 -5.374 3.041 1.00 0.00 H new ATOM 0 HG LEU A 24 2.446 -6.861 1.050 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.944 -4.621 0.178 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.398 -4.822 1.860 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.882 -3.905 1.511 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.875 -5.833 -0.662 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.912 -5.159 0.617 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.789 -6.922 0.408 1.00 0.00 H new ATOM 381 N THR A 25 3.752 -8.147 5.289 1.00 0.00 N ATOM 382 CA THR A 25 3.992 -8.324 6.709 1.00 0.00 C ATOM 383 C THR A 25 5.163 -9.310 6.919 1.00 0.00 C ATOM 384 O THR A 25 6.104 -9.031 7.675 1.00 0.00 O ATOM 385 CB THR A 25 2.717 -8.847 7.444 1.00 0.00 C ATOM 386 OG1 THR A 25 1.578 -8.016 7.125 1.00 0.00 O ATOM 387 CG2 THR A 25 2.916 -8.821 8.954 1.00 0.00 C ATOM 0 H THR A 25 2.838 -8.469 4.972 1.00 0.00 H new ATOM 0 HA THR A 25 4.247 -7.353 7.134 1.00 0.00 H new ATOM 0 HB THR A 25 2.541 -9.870 7.113 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.242 -8.250 6.235 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.016 -9.189 9.446 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.761 -9.456 9.221 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.114 -7.799 9.277 1.00 0.00 H new ATOM 395 N ALA A 26 5.129 -10.429 6.182 1.00 0.00 N ATOM 396 CA ALA A 26 6.169 -11.461 6.269 1.00 0.00 C ATOM 397 C ALA A 26 7.496 -10.932 5.768 1.00 0.00 C ATOM 398 O ALA A 26 8.553 -11.223 6.322 1.00 0.00 O ATOM 399 CB ALA A 26 5.764 -12.696 5.481 1.00 0.00 C ATOM 0 H ALA A 26 4.387 -10.642 5.515 1.00 0.00 H new ATOM 0 HA ALA A 26 6.283 -11.738 7.317 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.548 -13.450 5.558 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.834 -13.097 5.885 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.619 -12.428 4.434 1.00 0.00 H new ATOM 405 N ASN A 27 7.419 -10.097 4.764 1.00 0.00 N ATOM 406 CA ASN A 27 8.586 -9.500 4.127 1.00 0.00 C ATOM 407 C ASN A 27 9.074 -8.256 4.855 1.00 0.00 C ATOM 408 O ASN A 27 9.779 -7.434 4.267 1.00 0.00 O ATOM 409 CB ASN A 27 8.281 -9.185 2.661 1.00 0.00 C ATOM 410 CG ASN A 27 8.445 -10.391 1.751 1.00 0.00 C ATOM 411 OD1 ASN A 27 9.523 -10.625 1.202 1.00 0.00 O ATOM 412 ND2 ASN A 27 7.397 -11.147 1.578 1.00 0.00 N ATOM 0 H ASN A 27 6.534 -9.802 4.352 1.00 0.00 H new ATOM 0 HA ASN A 27 9.394 -10.230 4.178 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.260 -8.811 2.580 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.941 -8.387 2.321 1.00 0.00 H new ATOM 0 HD21 ASN A 27 7.453 -11.965 0.971 1.00 0.00 H new ATOM 0 HD22 ASN A 27 6.521 -10.921 2.050 1.00 0.00 H new ATOM 419 N ARG A 28 8.693 -8.138 6.145 1.00 0.00 N ATOM 420 CA ARG A 28 9.112 -7.061 7.096 1.00 0.00 C ATOM 421 C ARG A 28 8.816 -5.644 6.594 1.00 0.00 C ATOM 422 O ARG A 28 9.356 -4.664 7.113 1.00 0.00 O ATOM 423 CB ARG A 28 10.602 -7.206 7.577 1.00 0.00 C ATOM 424 CG ARG A 28 11.682 -7.058 6.498 1.00 0.00 C ATOM 425 CD ARG A 28 13.086 -7.204 7.056 1.00 0.00 C ATOM 426 NE ARG A 28 13.407 -6.157 8.026 1.00 0.00 N ATOM 427 CZ ARG A 28 14.632 -5.860 8.486 1.00 0.00 C ATOM 428 NH1 ARG A 28 15.702 -6.523 8.058 1.00 0.00 N ATOM 429 NH2 ARG A 28 14.775 -4.899 9.374 1.00 0.00 N ATOM 0 H ARG A 28 8.061 -8.811 6.579 1.00 0.00 H new ATOM 0 HA ARG A 28 8.480 -7.212 7.971 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.786 -6.460 8.350 1.00 0.00 H new ATOM 0 HB3 ARG A 28 10.717 -8.184 8.044 1.00 0.00 H new ATOM 0 HG2 ARG A 28 11.523 -7.808 5.724 1.00 0.00 H new ATOM 0 HG3 ARG A 28 11.584 -6.083 6.022 1.00 0.00 H new ATOM 0 HD2 ARG A 28 13.187 -8.180 7.531 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.805 -7.172 6.238 1.00 0.00 H new ATOM 0 HE ARG A 28 12.630 -5.603 8.385 1.00 0.00 H new ATOM 0 HH11 ARG A 28 15.598 -7.269 7.370 1.00 0.00 H new ATOM 0 HH12 ARG A 28 16.627 -6.285 8.417 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.958 -4.387 9.707 1.00 0.00 H new ATOM 0 HH22 ARG A 28 15.703 -4.667 9.729 1.00 0.00 H new ATOM 443 N ILE A 29 7.901 -5.533 5.661 1.00 0.00 N ATOM 444 CA ILE A 29 7.546 -4.259 5.099 1.00 0.00 C ATOM 445 C ILE A 29 6.492 -3.598 5.984 1.00 0.00 C ATOM 446 O ILE A 29 5.386 -4.126 6.160 1.00 0.00 O ATOM 447 CB ILE A 29 7.031 -4.399 3.633 1.00 0.00 C ATOM 448 CG1 ILE A 29 8.119 -5.051 2.747 1.00 0.00 C ATOM 449 CG2 ILE A 29 6.652 -3.031 3.088 1.00 0.00 C ATOM 450 CD1 ILE A 29 7.702 -5.307 1.312 1.00 0.00 C ATOM 0 H ILE A 29 7.385 -6.323 5.273 1.00 0.00 H new ATOM 0 HA ILE A 29 8.437 -3.633 5.063 1.00 0.00 H new ATOM 0 HB ILE A 29 6.148 -5.038 3.623 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.999 -4.408 2.745 1.00 0.00 H new ATOM 0 HG13 ILE A 29 8.416 -5.998 3.199 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.293 -3.134 2.064 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.866 -2.598 3.706 1.00 0.00 H new ATOM 0 HG23 ILE A 29 7.525 -2.379 3.102 1.00 0.00 H new ATOM 0 HD11 ILE A 29 8.529 -5.765 0.769 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.842 -5.977 1.297 1.00 0.00 H new ATOM 0 HD13 ILE A 29 7.435 -4.363 0.837 1.00 0.00 H new ATOM 462 N ALA A 30 6.857 -2.477 6.566 1.00 0.00 N ATOM 463 CA ALA A 30 5.999 -1.752 7.476 1.00 0.00 C ATOM 464 C ALA A 30 5.037 -0.845 6.723 1.00 0.00 C ATOM 465 O ALA A 30 5.449 0.107 6.038 1.00 0.00 O ATOM 466 CB ALA A 30 6.841 -0.949 8.437 1.00 0.00 C ATOM 0 H ALA A 30 7.767 -2.039 6.419 1.00 0.00 H new ATOM 0 HA ALA A 30 5.402 -2.472 8.036 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.192 -0.404 9.122 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.485 -1.620 9.005 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.456 -0.242 7.879 1.00 0.00 H new ATOM 472 N TYR A 31 3.770 -1.125 6.867 1.00 0.00 N ATOM 473 CA TYR A 31 2.736 -0.389 6.182 1.00 0.00 C ATOM 474 C TYR A 31 1.695 0.095 7.171 1.00 0.00 C ATOM 475 O TYR A 31 1.571 -0.455 8.270 1.00 0.00 O ATOM 476 CB TYR A 31 2.063 -1.273 5.108 1.00 0.00 C ATOM 477 CG TYR A 31 1.433 -2.550 5.652 1.00 0.00 C ATOM 478 CD1 TYR A 31 0.159 -2.538 6.216 1.00 0.00 C ATOM 479 CD2 TYR A 31 2.118 -3.754 5.620 1.00 0.00 C ATOM 480 CE1 TYR A 31 -0.396 -3.675 6.734 1.00 0.00 C ATOM 481 CE2 TYR A 31 1.560 -4.902 6.131 1.00 0.00 C ATOM 482 CZ TYR A 31 0.305 -4.853 6.694 1.00 0.00 C ATOM 483 OH TYR A 31 -0.260 -5.991 7.216 1.00 0.00 O ATOM 0 H TYR A 31 3.422 -1.874 7.466 1.00 0.00 H new ATOM 0 HA TYR A 31 3.193 0.472 5.694 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.294 -0.689 4.603 1.00 0.00 H new ATOM 0 HB3 TYR A 31 2.806 -1.540 4.356 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -0.400 -1.614 6.244 1.00 0.00 H new ATOM 0 HD2 TYR A 31 3.106 -3.791 5.187 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -1.382 -3.646 7.173 1.00 0.00 H new ATOM 0 HE2 TYR A 31 2.102 -5.835 6.091 1.00 0.00 H new ATOM 0 HH TYR A 31 0.391 -6.723 7.187 1.00 0.00 H new ATOM 493 N ASP A 32 0.954 1.092 6.776 1.00 0.00 N ATOM 494 CA ASP A 32 -0.143 1.614 7.571 1.00 0.00 C ATOM 495 C ASP A 32 -1.448 1.311 6.871 1.00 0.00 C ATOM 496 O ASP A 32 -1.678 1.784 5.765 1.00 0.00 O ATOM 497 CB ASP A 32 0.009 3.119 7.782 1.00 0.00 C ATOM 498 CG ASP A 32 -1.143 3.733 8.546 1.00 0.00 C ATOM 499 OD1 ASP A 32 -1.451 3.275 9.667 1.00 0.00 O ATOM 500 OD2 ASP A 32 -1.756 4.705 8.043 1.00 0.00 O ATOM 0 H ASP A 32 1.088 1.575 5.888 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.134 1.136 8.551 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.937 3.312 8.320 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.095 3.608 6.812 1.00 0.00 H new ATOM 505 N GLU A 33 -2.260 0.478 7.473 1.00 0.00 N ATOM 506 CA GLU A 33 -3.540 0.095 6.888 1.00 0.00 C ATOM 507 C GLU A 33 -4.607 1.153 7.205 1.00 0.00 C ATOM 508 O GLU A 33 -4.681 1.655 8.334 1.00 0.00 O ATOM 509 CB GLU A 33 -3.962 -1.297 7.382 1.00 0.00 C ATOM 510 CG GLU A 33 -4.131 -1.398 8.897 1.00 0.00 C ATOM 511 CD GLU A 33 -4.516 -2.771 9.361 1.00 0.00 C ATOM 512 OE1 GLU A 33 -3.631 -3.644 9.465 1.00 0.00 O ATOM 513 OE2 GLU A 33 -5.709 -3.006 9.661 1.00 0.00 O ATOM 0 H GLU A 33 -2.063 0.044 8.375 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.433 0.042 5.805 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.902 -1.571 6.904 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.217 -2.025 7.061 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.198 -1.107 9.380 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.892 -0.687 9.219 1.00 0.00 H new ATOM 520 N VAL A 34 -5.411 1.507 6.226 1.00 0.00 N ATOM 521 CA VAL A 34 -6.385 2.559 6.428 1.00 0.00 C ATOM 522 C VAL A 34 -7.763 2.036 6.818 1.00 0.00 C ATOM 523 O VAL A 34 -8.256 1.016 6.329 1.00 0.00 O ATOM 524 CB VAL A 34 -6.524 3.519 5.204 1.00 0.00 C ATOM 525 CG1 VAL A 34 -7.273 4.808 5.560 1.00 0.00 C ATOM 526 CG2 VAL A 34 -5.182 3.820 4.587 1.00 0.00 C ATOM 0 H VAL A 34 -5.411 1.090 5.295 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.983 3.130 7.265 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.126 2.997 4.460 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.344 5.443 4.677 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -8.275 4.561 5.912 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.733 5.337 6.345 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.314 4.491 3.738 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.539 4.295 5.328 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.721 2.892 4.248 1.00 0.00 H new ATOM 536 N ASP A 35 -8.336 2.816 7.661 1.00 0.00 N ATOM 537 CA ASP A 35 -9.652 2.753 8.271 1.00 0.00 C ATOM 538 C ASP A 35 -10.835 3.021 7.310 1.00 0.00 C ATOM 539 O ASP A 35 -11.984 2.997 7.756 1.00 0.00 O ATOM 540 CB ASP A 35 -9.688 3.732 9.446 1.00 0.00 C ATOM 541 CG ASP A 35 -8.935 5.025 9.151 1.00 0.00 C ATOM 542 OD1 ASP A 35 -9.325 5.783 8.254 1.00 0.00 O ATOM 543 OD2 ASP A 35 -7.891 5.275 9.800 1.00 0.00 O ATOM 0 H ASP A 35 -7.834 3.637 7.999 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.794 1.723 8.599 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.725 3.966 9.688 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.255 3.255 10.325 1.00 0.00 H new ATOM 548 N ILE A 36 -10.557 3.299 6.007 1.00 0.00 N ATOM 549 CA ILE A 36 -11.582 3.767 4.993 1.00 0.00 C ATOM 550 C ILE A 36 -12.916 3.017 5.019 1.00 0.00 C ATOM 551 O ILE A 36 -13.928 3.577 4.617 1.00 0.00 O ATOM 552 CB ILE A 36 -11.102 3.685 3.508 1.00 0.00 C ATOM 553 CG1 ILE A 36 -10.833 2.234 3.078 1.00 0.00 C ATOM 554 CG2 ILE A 36 -9.880 4.530 3.297 1.00 0.00 C ATOM 555 CD1 ILE A 36 -10.932 2.008 1.567 1.00 0.00 C ATOM 0 H ILE A 36 -9.619 3.209 5.615 1.00 0.00 H new ATOM 0 HA ILE A 36 -11.718 4.800 5.314 1.00 0.00 H new ATOM 0 HB ILE A 36 -11.907 4.072 2.883 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.838 1.944 3.415 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -11.544 1.578 3.581 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.563 4.458 2.257 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -10.110 5.568 3.535 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.078 4.178 3.946 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.730 0.961 1.342 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -11.935 2.265 1.226 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -10.202 2.637 1.057 1.00 0.00 H new ATOM 567 N GLU A 37 -12.916 1.770 5.468 1.00 0.00 N ATOM 568 CA GLU A 37 -14.126 0.970 5.520 1.00 0.00 C ATOM 569 C GLU A 37 -15.172 1.665 6.404 1.00 0.00 C ATOM 570 O GLU A 37 -16.365 1.670 6.095 1.00 0.00 O ATOM 571 CB GLU A 37 -13.824 -0.416 6.097 1.00 0.00 C ATOM 572 CG GLU A 37 -14.980 -1.381 5.961 1.00 0.00 C ATOM 573 CD GLU A 37 -14.746 -2.694 6.639 1.00 0.00 C ATOM 574 OE1 GLU A 37 -13.843 -3.437 6.231 1.00 0.00 O ATOM 575 OE2 GLU A 37 -15.488 -3.026 7.595 1.00 0.00 O ATOM 0 H GLU A 37 -12.082 1.289 5.804 1.00 0.00 H new ATOM 0 HA GLU A 37 -14.513 0.861 4.507 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.951 -0.831 5.592 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -13.565 -0.315 7.151 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -15.877 -0.922 6.376 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -15.173 -1.557 4.903 1.00 0.00 H new ATOM 582 N HIS A 38 -14.691 2.297 7.454 1.00 0.00 N ATOM 583 CA HIS A 38 -15.540 2.929 8.444 1.00 0.00 C ATOM 584 C HIS A 38 -15.763 4.402 8.112 1.00 0.00 C ATOM 585 O HIS A 38 -16.837 4.953 8.357 1.00 0.00 O ATOM 586 CB HIS A 38 -14.891 2.815 9.839 1.00 0.00 C ATOM 587 CG HIS A 38 -14.581 1.406 10.274 1.00 0.00 C ATOM 588 ND1 HIS A 38 -15.324 0.705 11.189 1.00 0.00 N ATOM 589 CD2 HIS A 38 -13.570 0.577 9.901 1.00 0.00 C ATOM 590 CE1 HIS A 38 -14.763 -0.496 11.345 1.00 0.00 C ATOM 591 NE2 HIS A 38 -13.691 -0.629 10.582 1.00 0.00 N ATOM 0 H HIS A 38 -13.693 2.388 7.647 1.00 0.00 H new ATOM 0 HA HIS A 38 -16.504 2.419 8.440 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -13.968 3.394 9.844 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -15.556 3.270 10.573 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -12.795 0.817 9.188 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -15.137 -1.261 12.009 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -13.082 -1.444 10.509 1.00 0.00 H new ATOM 599 N ASN A 39 -14.754 5.033 7.551 1.00 0.00 N ATOM 600 CA ASN A 39 -14.820 6.459 7.255 1.00 0.00 C ATOM 601 C ASN A 39 -14.744 6.792 5.783 1.00 0.00 C ATOM 602 O ASN A 39 -13.696 6.628 5.130 1.00 0.00 O ATOM 603 CB ASN A 39 -13.815 7.301 8.080 1.00 0.00 C ATOM 604 CG ASN A 39 -12.436 6.691 8.229 1.00 0.00 C ATOM 605 OD1 ASN A 39 -12.191 5.954 9.181 1.00 0.00 O ATOM 606 ND2 ASN A 39 -11.524 6.988 7.334 1.00 0.00 N ATOM 0 H ASN A 39 -13.875 4.586 7.288 1.00 0.00 H new ATOM 0 HA ASN A 39 -15.821 6.747 7.576 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -13.714 8.280 7.611 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -14.232 7.465 9.074 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.583 6.604 7.418 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -11.756 7.603 6.554 1.00 0.00 H new ATOM 613 N ARG A 40 -15.857 7.320 5.275 1.00 0.00 N ATOM 614 CA ARG A 40 -15.996 7.716 3.875 1.00 0.00 C ATOM 615 C ARG A 40 -15.029 8.830 3.502 1.00 0.00 C ATOM 616 O ARG A 40 -14.651 8.948 2.349 1.00 0.00 O ATOM 617 CB ARG A 40 -17.433 8.156 3.541 1.00 0.00 C ATOM 618 CG ARG A 40 -17.948 9.307 4.392 1.00 0.00 C ATOM 619 CD ARG A 40 -19.309 9.794 3.931 1.00 0.00 C ATOM 620 NE ARG A 40 -20.335 8.735 3.921 1.00 0.00 N ATOM 621 CZ ARG A 40 -21.624 8.903 4.247 1.00 0.00 C ATOM 622 NH1 ARG A 40 -22.022 10.006 4.867 1.00 0.00 N ATOM 623 NH2 ARG A 40 -22.496 7.936 4.005 1.00 0.00 N ATOM 0 H ARG A 40 -16.696 7.486 5.830 1.00 0.00 H new ATOM 0 HA ARG A 40 -15.756 6.830 3.287 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -17.477 8.447 2.492 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -18.100 7.302 3.663 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -18.011 8.988 5.432 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -17.236 10.132 4.354 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -19.638 10.603 4.584 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -19.217 10.211 2.928 1.00 0.00 H new ATOM 0 HE ARG A 40 -20.040 7.799 3.644 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -21.345 10.733 5.099 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -23.005 10.127 5.112 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -22.186 7.066 3.572 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -23.478 8.061 4.252 1.00 0.00 H new ATOM 637 N ALA A 41 -14.615 9.621 4.488 1.00 0.00 N ATOM 638 CA ALA A 41 -13.699 10.742 4.268 1.00 0.00 C ATOM 639 C ALA A 41 -12.422 10.285 3.580 1.00 0.00 C ATOM 640 O ALA A 41 -11.925 10.935 2.655 1.00 0.00 O ATOM 641 CB ALA A 41 -13.371 11.410 5.582 1.00 0.00 C ATOM 0 H ALA A 41 -14.902 9.506 5.460 1.00 0.00 H new ATOM 0 HA ALA A 41 -14.195 11.460 3.615 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.689 12.242 5.407 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -14.288 11.782 6.040 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.899 10.689 6.249 1.00 0.00 H new ATOM 647 N ALA A 42 -11.922 9.154 4.007 1.00 0.00 N ATOM 648 CA ALA A 42 -10.737 8.599 3.425 1.00 0.00 C ATOM 649 C ALA A 42 -11.100 7.743 2.215 1.00 0.00 C ATOM 650 O ALA A 42 -10.350 7.667 1.247 1.00 0.00 O ATOM 651 CB ALA A 42 -9.966 7.802 4.462 1.00 0.00 C ATOM 0 H ALA A 42 -12.324 8.599 4.762 1.00 0.00 H new ATOM 0 HA ALA A 42 -10.092 9.408 3.082 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -9.068 7.386 4.007 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -9.685 8.455 5.288 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.591 6.992 4.837 1.00 0.00 H new ATOM 657 N ALA A 43 -12.290 7.143 2.253 1.00 0.00 N ATOM 658 CA ALA A 43 -12.756 6.265 1.182 1.00 0.00 C ATOM 659 C ALA A 43 -12.961 7.020 -0.127 1.00 0.00 C ATOM 660 O ALA A 43 -12.750 6.466 -1.212 1.00 0.00 O ATOM 661 CB ALA A 43 -14.031 5.541 1.582 1.00 0.00 C ATOM 0 H ALA A 43 -12.953 7.251 3.021 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.974 5.524 1.017 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -14.354 4.895 0.766 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -13.843 4.937 2.470 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -14.811 6.271 1.798 1.00 0.00 H new ATOM 667 N GLU A 44 -13.381 8.270 -0.034 1.00 0.00 N ATOM 668 CA GLU A 44 -13.576 9.102 -1.215 1.00 0.00 C ATOM 669 C GLU A 44 -12.257 9.417 -1.893 1.00 0.00 C ATOM 670 O GLU A 44 -12.182 9.459 -3.121 1.00 0.00 O ATOM 671 CB GLU A 44 -14.336 10.383 -0.886 1.00 0.00 C ATOM 672 CG GLU A 44 -15.759 10.141 -0.425 1.00 0.00 C ATOM 673 CD GLU A 44 -16.558 9.365 -1.442 1.00 0.00 C ATOM 674 OE1 GLU A 44 -17.081 9.968 -2.390 1.00 0.00 O ATOM 675 OE2 GLU A 44 -16.660 8.132 -1.324 1.00 0.00 O ATOM 0 H GLU A 44 -13.595 8.735 0.849 1.00 0.00 H new ATOM 0 HA GLU A 44 -14.185 8.527 -1.912 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -13.798 10.926 -0.109 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -14.352 11.023 -1.768 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -15.747 9.596 0.519 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -16.246 11.097 -0.234 1.00 0.00 H new ATOM 682 N PHE A 45 -11.203 9.578 -1.098 1.00 0.00 N ATOM 683 CA PHE A 45 -9.877 9.852 -1.639 1.00 0.00 C ATOM 684 C PHE A 45 -9.408 8.646 -2.442 1.00 0.00 C ATOM 685 O PHE A 45 -8.818 8.784 -3.510 1.00 0.00 O ATOM 686 CB PHE A 45 -8.886 10.191 -0.511 1.00 0.00 C ATOM 687 CG PHE A 45 -7.483 10.491 -0.986 1.00 0.00 C ATOM 688 CD1 PHE A 45 -7.195 11.687 -1.623 1.00 0.00 C ATOM 689 CD2 PHE A 45 -6.460 9.572 -0.802 1.00 0.00 C ATOM 690 CE1 PHE A 45 -5.912 11.962 -2.066 1.00 0.00 C ATOM 691 CE2 PHE A 45 -5.178 9.843 -1.243 1.00 0.00 C ATOM 692 CZ PHE A 45 -4.905 11.039 -1.876 1.00 0.00 C ATOM 0 H PHE A 45 -11.242 9.524 -0.080 1.00 0.00 H new ATOM 0 HA PHE A 45 -9.925 10.719 -2.297 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -9.262 11.052 0.041 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -8.850 9.356 0.188 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -7.980 12.413 -1.776 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.668 8.634 -0.309 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.700 12.899 -2.560 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.391 9.119 -1.092 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.904 11.252 -2.222 1.00 0.00 H new ATOM 702 N VAL A 46 -9.743 7.467 -1.934 1.00 0.00 N ATOM 703 CA VAL A 46 -9.437 6.192 -2.584 1.00 0.00 C ATOM 704 C VAL A 46 -10.097 6.139 -3.959 1.00 0.00 C ATOM 705 O VAL A 46 -9.519 5.636 -4.929 1.00 0.00 O ATOM 706 CB VAL A 46 -9.953 5.009 -1.733 1.00 0.00 C ATOM 707 CG1 VAL A 46 -9.626 3.669 -2.371 1.00 0.00 C ATOM 708 CG2 VAL A 46 -9.373 5.079 -0.351 1.00 0.00 C ATOM 0 H VAL A 46 -10.240 7.364 -1.049 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.355 6.113 -2.688 1.00 0.00 H new ATOM 0 HB VAL A 46 -11.038 5.090 -1.676 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -10.006 2.864 -1.742 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -10.092 3.611 -3.355 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.546 3.569 -2.475 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -9.742 4.242 0.241 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -8.286 5.030 -0.410 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.669 6.016 0.121 1.00 0.00 H new ATOM 718 N GLY A 47 -11.295 6.679 -4.028 1.00 0.00 N ATOM 719 CA GLY A 47 -12.010 6.742 -5.268 1.00 0.00 C ATOM 720 C GLY A 47 -11.345 7.700 -6.217 1.00 0.00 C ATOM 721 O GLY A 47 -11.050 7.342 -7.349 1.00 0.00 O ATOM 0 H GLY A 47 -11.790 7.080 -3.231 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.056 5.750 -5.718 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.037 7.057 -5.086 1.00 0.00 H new ATOM 725 N SER A 48 -11.047 8.894 -5.727 1.00 0.00 N ATOM 726 CA SER A 48 -10.426 9.945 -6.521 1.00 0.00 C ATOM 727 C SER A 48 -9.050 9.530 -7.076 1.00 0.00 C ATOM 728 O SER A 48 -8.714 9.851 -8.221 1.00 0.00 O ATOM 729 CB SER A 48 -10.282 11.195 -5.665 1.00 0.00 C ATOM 730 OG SER A 48 -11.535 11.546 -5.095 1.00 0.00 O ATOM 0 H SER A 48 -11.230 9.163 -4.760 1.00 0.00 H new ATOM 0 HA SER A 48 -11.070 10.140 -7.379 1.00 0.00 H new ATOM 0 HB2 SER A 48 -9.551 11.022 -4.875 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.907 12.019 -6.272 1.00 0.00 H new ATOM 0 HG SER A 48 -11.717 10.969 -4.324 1.00 0.00 H new ATOM 736 N VAL A 49 -8.275 8.802 -6.286 1.00 0.00 N ATOM 737 CA VAL A 49 -6.933 8.402 -6.701 1.00 0.00 C ATOM 738 C VAL A 49 -6.982 7.188 -7.662 1.00 0.00 C ATOM 739 O VAL A 49 -5.976 6.808 -8.278 1.00 0.00 O ATOM 740 CB VAL A 49 -6.010 8.122 -5.471 1.00 0.00 C ATOM 741 CG1 VAL A 49 -6.399 6.853 -4.727 1.00 0.00 C ATOM 742 CG2 VAL A 49 -4.543 8.112 -5.864 1.00 0.00 C ATOM 0 H VAL A 49 -8.547 8.476 -5.359 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.496 9.238 -7.248 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.160 8.948 -4.776 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.726 6.706 -3.882 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.423 6.943 -4.364 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.327 5.999 -5.401 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.932 7.914 -4.983 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -4.371 7.334 -6.607 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.272 9.081 -6.284 1.00 0.00 H new ATOM 752 N ASN A 50 -8.150 6.605 -7.795 1.00 0.00 N ATOM 753 CA ASN A 50 -8.346 5.491 -8.700 1.00 0.00 C ATOM 754 C ASN A 50 -9.088 5.922 -9.941 1.00 0.00 C ATOM 755 O ASN A 50 -8.511 5.989 -11.028 1.00 0.00 O ATOM 756 CB ASN A 50 -9.080 4.318 -8.034 1.00 0.00 C ATOM 757 CG ASN A 50 -8.161 3.348 -7.315 1.00 0.00 C ATOM 758 OD1 ASN A 50 -7.668 2.392 -7.915 1.00 0.00 O ATOM 759 ND2 ASN A 50 -7.957 3.546 -6.040 1.00 0.00 N ATOM 0 H ASN A 50 -8.987 6.885 -7.284 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.352 5.144 -8.981 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -9.805 4.713 -7.322 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.643 3.775 -8.794 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.374 2.898 -5.510 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.381 4.348 -5.574 1.00 0.00 H new ATOM 766 N GLY A 51 -10.335 6.272 -9.772 1.00 0.00 N ATOM 767 CA GLY A 51 -11.177 6.619 -10.878 1.00 0.00 C ATOM 768 C GLY A 51 -12.543 6.014 -10.715 1.00 0.00 C ATOM 769 O GLY A 51 -13.279 6.367 -9.781 1.00 0.00 O ATOM 0 H GLY A 51 -10.793 6.324 -8.862 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -11.260 7.703 -10.952 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.727 6.270 -11.808 1.00 0.00 H new ATOM 773 N GLY A 52 -12.864 5.079 -11.568 1.00 0.00 N ATOM 774 CA GLY A 52 -14.161 4.448 -11.526 1.00 0.00 C ATOM 775 C GLY A 52 -14.207 3.316 -10.532 1.00 0.00 C ATOM 776 O GLY A 52 -15.107 3.245 -9.692 1.00 0.00 O ATOM 0 H GLY A 52 -12.246 4.735 -12.303 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -14.916 5.189 -11.266 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -14.413 4.070 -12.517 1.00 0.00 H new ATOM 780 N ASN A 53 -13.222 2.459 -10.601 1.00 0.00 N ATOM 781 CA ASN A 53 -13.150 1.299 -9.734 1.00 0.00 C ATOM 782 C ASN A 53 -12.365 1.658 -8.498 1.00 0.00 C ATOM 783 O ASN A 53 -11.174 1.985 -8.582 1.00 0.00 O ATOM 784 CB ASN A 53 -12.475 0.120 -10.453 1.00 0.00 C ATOM 785 CG ASN A 53 -12.482 -1.169 -9.628 1.00 0.00 C ATOM 786 OD1 ASN A 53 -13.414 -1.954 -9.706 1.00 0.00 O ATOM 787 ND2 ASN A 53 -11.450 -1.412 -8.859 1.00 0.00 N ATOM 0 H ASN A 53 -12.445 2.540 -11.257 1.00 0.00 H new ATOM 0 HA ASN A 53 -14.161 0.998 -9.461 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -12.983 -0.059 -11.400 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -11.445 0.388 -10.689 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -11.414 -2.271 -8.310 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -10.682 -0.742 -8.809 1.00 0.00 H new ATOM 794 N ARG A 54 -13.013 1.613 -7.363 1.00 0.00 N ATOM 795 CA ARG A 54 -12.376 1.942 -6.114 1.00 0.00 C ATOM 796 C ARG A 54 -11.598 0.720 -5.654 1.00 0.00 C ATOM 797 O ARG A 54 -12.120 -0.131 -4.930 1.00 0.00 O ATOM 798 CB ARG A 54 -13.425 2.350 -5.064 1.00 0.00 C ATOM 799 CG ARG A 54 -12.901 3.209 -3.934 1.00 0.00 C ATOM 800 CD ARG A 54 -14.035 3.630 -3.001 1.00 0.00 C ATOM 801 NE ARG A 54 -15.148 4.287 -3.727 1.00 0.00 N ATOM 802 CZ ARG A 54 -15.779 5.415 -3.350 1.00 0.00 C ATOM 803 NH1 ARG A 54 -15.334 6.122 -2.328 1.00 0.00 N ATOM 804 NH2 ARG A 54 -16.818 5.848 -4.038 1.00 0.00 N ATOM 0 H ARG A 54 -13.994 1.348 -7.278 1.00 0.00 H new ATOM 0 HA ARG A 54 -11.701 2.788 -6.244 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -14.229 2.888 -5.566 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.863 1.446 -4.640 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -12.147 2.658 -3.372 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -12.411 4.094 -4.341 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -14.414 2.753 -2.476 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.646 4.311 -2.244 1.00 0.00 H new ATOM 0 HE ARG A 54 -15.464 3.845 -4.590 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -14.506 5.815 -1.817 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -15.818 6.975 -2.049 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -17.142 5.328 -4.854 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -17.297 6.702 -3.754 1.00 0.00 H new ATOM 818 N THR A 55 -10.412 0.582 -6.184 1.00 0.00 N ATOM 819 CA THR A 55 -9.553 -0.520 -5.869 1.00 0.00 C ATOM 820 C THR A 55 -9.031 -0.338 -4.465 1.00 0.00 C ATOM 821 O THR A 55 -8.461 0.725 -4.149 1.00 0.00 O ATOM 822 CB THR A 55 -8.377 -0.545 -6.840 1.00 0.00 C ATOM 823 OG1 THR A 55 -8.863 -0.360 -8.192 1.00 0.00 O ATOM 824 CG2 THR A 55 -7.644 -1.868 -6.742 1.00 0.00 C ATOM 0 H THR A 55 -10.014 1.241 -6.854 1.00 0.00 H new ATOM 0 HA THR A 55 -10.107 -1.455 -5.948 1.00 0.00 H new ATOM 0 HB THR A 55 -7.689 0.260 -6.584 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.624 0.537 -8.506 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.807 -1.873 -7.440 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.271 -2.003 -5.727 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.327 -2.681 -6.988 1.00 0.00 H new ATOM 832 N VAL A 56 -9.214 -1.330 -3.626 1.00 0.00 N ATOM 833 CA VAL A 56 -8.817 -1.168 -2.257 1.00 0.00 C ATOM 834 C VAL A 56 -7.341 -1.272 -2.047 1.00 0.00 C ATOM 835 O VAL A 56 -6.782 -0.322 -1.534 1.00 0.00 O ATOM 836 CB VAL A 56 -9.483 -2.094 -1.247 1.00 0.00 C ATOM 837 CG1 VAL A 56 -9.292 -1.509 0.139 1.00 0.00 C ATOM 838 CG2 VAL A 56 -10.927 -2.288 -1.538 1.00 0.00 C ATOM 0 H VAL A 56 -9.625 -2.233 -3.862 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.168 -0.154 -2.064 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.017 -3.077 -1.310 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.763 -2.159 0.876 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.227 -1.426 0.355 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -9.749 -0.520 0.183 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -11.362 -2.955 -0.793 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.437 -1.325 -1.505 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -11.043 -2.726 -2.529 1.00 0.00 H new ATOM 848 N PRO A 57 -6.623 -2.402 -2.454 1.00 0.00 N ATOM 849 CA PRO A 57 -5.231 -2.581 -2.070 1.00 0.00 C ATOM 850 C PRO A 57 -4.249 -1.653 -2.834 1.00 0.00 C ATOM 851 O PRO A 57 -3.166 -2.063 -3.282 1.00 0.00 O ATOM 852 CB PRO A 57 -4.950 -4.026 -2.392 1.00 0.00 C ATOM 853 CG PRO A 57 -5.779 -4.254 -3.589 1.00 0.00 C ATOM 854 CD PRO A 57 -7.073 -3.583 -3.264 1.00 0.00 C ATOM 0 HA PRO A 57 -5.082 -2.324 -1.021 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.893 -4.199 -2.592 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.231 -4.687 -1.572 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.320 -3.826 -4.480 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.918 -5.318 -3.782 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -7.611 -3.280 -4.162 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.739 -4.235 -2.698 1.00 0.00 H new ATOM 862 N THR A 58 -4.635 -0.449 -2.939 1.00 0.00 N ATOM 863 CA THR A 58 -3.904 0.580 -3.514 1.00 0.00 C ATOM 864 C THR A 58 -2.918 1.041 -2.457 1.00 0.00 C ATOM 865 O THR A 58 -3.311 1.448 -1.361 1.00 0.00 O ATOM 866 CB THR A 58 -4.883 1.716 -3.866 1.00 0.00 C ATOM 867 OG1 THR A 58 -5.847 1.248 -4.847 1.00 0.00 O ATOM 868 CG2 THR A 58 -4.170 2.958 -4.387 1.00 0.00 C ATOM 0 H THR A 58 -5.544 -0.140 -2.595 1.00 0.00 H new ATOM 0 HA THR A 58 -3.379 0.273 -4.418 1.00 0.00 H new ATOM 0 HB THR A 58 -5.396 2.001 -2.947 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.716 1.117 -4.414 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.905 3.728 -4.620 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.484 3.330 -3.626 1.00 0.00 H new ATOM 0 HG23 THR A 58 -3.611 2.705 -5.288 1.00 0.00 H new ATOM 876 N VAL A 59 -1.674 0.902 -2.745 1.00 0.00 N ATOM 877 CA VAL A 59 -0.665 1.293 -1.825 1.00 0.00 C ATOM 878 C VAL A 59 -0.204 2.711 -2.144 1.00 0.00 C ATOM 879 O VAL A 59 0.053 3.046 -3.290 1.00 0.00 O ATOM 880 CB VAL A 59 0.519 0.280 -1.816 1.00 0.00 C ATOM 881 CG1 VAL A 59 1.088 0.087 -3.191 1.00 0.00 C ATOM 882 CG2 VAL A 59 1.594 0.696 -0.839 1.00 0.00 C ATOM 0 H VAL A 59 -1.326 0.515 -3.622 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.081 1.288 -0.818 1.00 0.00 H new ATOM 0 HB VAL A 59 0.121 -0.679 -1.484 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.912 -0.626 -3.147 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.313 -0.295 -3.855 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.454 1.041 -3.571 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.405 -0.032 -0.858 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.980 1.676 -1.119 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.174 0.745 0.165 1.00 0.00 H new ATOM 892 N LYS A 60 -0.192 3.531 -1.154 1.00 0.00 N ATOM 893 CA LYS A 60 0.233 4.898 -1.263 1.00 0.00 C ATOM 894 C LYS A 60 1.602 5.004 -0.635 1.00 0.00 C ATOM 895 O LYS A 60 1.761 4.718 0.543 1.00 0.00 O ATOM 896 CB LYS A 60 -0.764 5.774 -0.505 1.00 0.00 C ATOM 897 CG LYS A 60 -0.483 7.250 -0.492 1.00 0.00 C ATOM 898 CD LYS A 60 -1.471 7.933 0.427 1.00 0.00 C ATOM 899 CE LYS A 60 -1.267 9.418 0.459 1.00 0.00 C ATOM 900 NZ LYS A 60 -2.096 10.052 1.505 1.00 0.00 N ATOM 0 H LYS A 60 -0.485 3.270 -0.213 1.00 0.00 H new ATOM 0 HA LYS A 60 0.277 5.223 -2.303 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.753 5.618 -0.937 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.809 5.426 0.527 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.536 7.436 -0.153 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.563 7.657 -1.500 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.486 7.713 0.097 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.369 7.530 1.435 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.215 9.639 0.642 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.517 9.843 -0.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.933 11.079 1.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -3.100 9.861 1.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.839 9.663 2.435 1.00 0.00 H new ATOM 914 N PHE A 61 2.578 5.373 -1.404 1.00 0.00 N ATOM 915 CA PHE A 61 3.921 5.453 -0.891 1.00 0.00 C ATOM 916 C PHE A 61 4.215 6.797 -0.278 1.00 0.00 C ATOM 917 O PHE A 61 3.474 7.776 -0.491 1.00 0.00 O ATOM 918 CB PHE A 61 4.963 5.060 -1.951 1.00 0.00 C ATOM 919 CG PHE A 61 4.966 3.602 -2.233 1.00 0.00 C ATOM 920 CD1 PHE A 61 5.711 2.735 -1.444 1.00 0.00 C ATOM 921 CD2 PHE A 61 4.201 3.083 -3.265 1.00 0.00 C ATOM 922 CE1 PHE A 61 5.686 1.389 -1.685 1.00 0.00 C ATOM 923 CE2 PHE A 61 4.184 1.730 -3.510 1.00 0.00 C ATOM 924 CZ PHE A 61 4.923 0.885 -2.720 1.00 0.00 C ATOM 0 H PHE A 61 2.477 5.624 -2.387 1.00 0.00 H new ATOM 0 HA PHE A 61 3.996 4.721 -0.087 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.761 5.605 -2.873 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.954 5.363 -1.612 1.00 0.00 H new ATOM 0 HD1 PHE A 61 6.313 3.126 -0.637 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.613 3.746 -3.882 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.264 0.719 -1.065 1.00 0.00 H new ATOM 0 HE2 PHE A 61 3.591 1.334 -4.321 1.00 0.00 H new ATOM 0 HZ PHE A 61 4.908 -0.178 -2.909 1.00 0.00 H new ATOM 934 N ALA A 62 5.287 6.843 0.491 1.00 0.00 N ATOM 935 CA ALA A 62 5.742 8.043 1.188 1.00 0.00 C ATOM 936 C ALA A 62 6.067 9.198 0.238 1.00 0.00 C ATOM 937 O ALA A 62 6.125 10.349 0.661 1.00 0.00 O ATOM 938 CB ALA A 62 6.945 7.718 2.055 1.00 0.00 C ATOM 0 H ALA A 62 5.883 6.031 0.655 1.00 0.00 H new ATOM 0 HA ALA A 62 4.916 8.378 1.816 1.00 0.00 H new ATOM 0 HB1 ALA A 62 7.276 8.620 2.570 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.670 6.961 2.789 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.753 7.340 1.429 1.00 0.00 H new ATOM 944 N ASP A 63 6.266 8.890 -1.038 1.00 0.00 N ATOM 945 CA ASP A 63 6.545 9.922 -2.038 1.00 0.00 C ATOM 946 C ASP A 63 5.249 10.635 -2.442 1.00 0.00 C ATOM 947 O ASP A 63 5.279 11.740 -2.992 1.00 0.00 O ATOM 948 CB ASP A 63 7.248 9.348 -3.291 1.00 0.00 C ATOM 949 CG ASP A 63 6.363 8.456 -4.141 1.00 0.00 C ATOM 950 OD1 ASP A 63 5.629 8.986 -4.993 1.00 0.00 O ATOM 951 OD2 ASP A 63 6.401 7.212 -3.977 1.00 0.00 O ATOM 0 H ASP A 63 6.240 7.939 -1.407 1.00 0.00 H new ATOM 0 HA ASP A 63 7.227 10.639 -1.580 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.608 10.175 -3.903 1.00 0.00 H new ATOM 0 HB3 ASP A 63 8.123 8.780 -2.976 1.00 0.00 H new ATOM 956 N GLY A 64 4.120 10.015 -2.139 1.00 0.00 N ATOM 957 CA GLY A 64 2.838 10.600 -2.450 1.00 0.00 C ATOM 958 C GLY A 64 2.103 9.872 -3.553 1.00 0.00 C ATOM 959 O GLY A 64 0.873 9.971 -3.659 1.00 0.00 O ATOM 0 H GLY A 64 4.072 9.106 -1.678 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.220 10.604 -1.552 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.982 11.640 -2.743 1.00 0.00 H new ATOM 963 N SER A 65 2.819 9.137 -4.368 1.00 0.00 N ATOM 964 CA SER A 65 2.191 8.411 -5.441 1.00 0.00 C ATOM 965 C SER A 65 1.631 7.094 -4.936 1.00 0.00 C ATOM 966 O SER A 65 2.034 6.586 -3.875 1.00 0.00 O ATOM 967 CB SER A 65 3.187 8.183 -6.563 1.00 0.00 C ATOM 968 OG SER A 65 3.821 9.409 -6.888 1.00 0.00 O ATOM 0 H SER A 65 3.831 9.027 -4.309 1.00 0.00 H new ATOM 0 HA SER A 65 1.361 9.001 -5.830 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.930 7.446 -6.260 1.00 0.00 H new ATOM 0 HB3 SER A 65 2.678 7.781 -7.439 1.00 0.00 H new ATOM 0 HG SER A 65 4.585 9.551 -6.291 1.00 0.00 H new ATOM 974 N THR A 66 0.716 6.556 -5.671 1.00 0.00 N ATOM 975 CA THR A 66 0.081 5.337 -5.322 1.00 0.00 C ATOM 976 C THR A 66 0.438 4.257 -6.326 1.00 0.00 C ATOM 977 O THR A 66 1.107 4.529 -7.341 1.00 0.00 O ATOM 978 CB THR A 66 -1.442 5.537 -5.280 1.00 0.00 C ATOM 979 OG1 THR A 66 -1.847 6.297 -6.429 1.00 0.00 O ATOM 980 CG2 THR A 66 -1.873 6.255 -4.012 1.00 0.00 C ATOM 0 H THR A 66 0.385 6.961 -6.546 1.00 0.00 H new ATOM 0 HA THR A 66 0.426 5.026 -4.336 1.00 0.00 H new ATOM 0 HB THR A 66 -1.920 4.557 -5.288 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.686 5.934 -6.782 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.956 6.380 -4.015 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.578 5.667 -3.143 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.395 7.234 -3.968 1.00 0.00 H new ATOM 988 N LEU A 67 0.064 3.058 -6.028 1.00 0.00 N ATOM 989 CA LEU A 67 0.260 1.960 -6.910 1.00 0.00 C ATOM 990 C LEU A 67 -0.941 1.036 -6.736 1.00 0.00 C ATOM 991 O LEU A 67 -1.139 0.436 -5.670 1.00 0.00 O ATOM 992 CB LEU A 67 1.588 1.259 -6.566 1.00 0.00 C ATOM 993 CG LEU A 67 2.160 0.264 -7.582 1.00 0.00 C ATOM 994 CD1 LEU A 67 2.521 0.965 -8.885 1.00 0.00 C ATOM 995 CD2 LEU A 67 3.388 -0.412 -7.006 1.00 0.00 C ATOM 0 H LEU A 67 -0.394 2.811 -5.151 1.00 0.00 H new ATOM 0 HA LEU A 67 0.329 2.274 -7.952 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.339 2.031 -6.395 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.453 0.732 -5.622 1.00 0.00 H new ATOM 0 HG LEU A 67 1.398 -0.486 -7.794 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.925 0.238 -9.590 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.629 1.425 -9.310 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.268 1.734 -8.689 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.790 -1.118 -7.733 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.143 0.340 -6.775 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.116 -0.945 -6.095 1.00 0.00 H new ATOM 1007 N THR A 68 -1.764 0.994 -7.734 1.00 0.00 N ATOM 1008 CA THR A 68 -2.978 0.236 -7.706 1.00 0.00 C ATOM 1009 C THR A 68 -2.727 -1.222 -8.132 1.00 0.00 C ATOM 1010 O THR A 68 -2.199 -1.478 -9.219 1.00 0.00 O ATOM 1011 CB THR A 68 -4.021 0.920 -8.618 1.00 0.00 C ATOM 1012 OG1 THR A 68 -4.256 2.273 -8.148 1.00 0.00 O ATOM 1013 CG2 THR A 68 -5.329 0.162 -8.624 1.00 0.00 C ATOM 0 H THR A 68 -1.610 1.495 -8.609 1.00 0.00 H new ATOM 0 HA THR A 68 -3.364 0.207 -6.687 1.00 0.00 H new ATOM 0 HB THR A 68 -3.628 0.933 -9.634 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.916 2.710 -8.726 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.041 0.670 -9.275 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.161 -0.851 -8.990 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.730 0.120 -7.611 1.00 0.00 H new ATOM 1021 N ASN A 69 -3.085 -2.155 -7.244 1.00 0.00 N ATOM 1022 CA ASN A 69 -2.910 -3.612 -7.451 1.00 0.00 C ATOM 1023 C ASN A 69 -1.475 -4.026 -7.742 1.00 0.00 C ATOM 1024 O ASN A 69 -1.160 -4.471 -8.849 1.00 0.00 O ATOM 1025 CB ASN A 69 -3.855 -4.207 -8.513 1.00 0.00 C ATOM 1026 CG ASN A 69 -5.255 -4.453 -8.018 1.00 0.00 C ATOM 1027 OD1 ASN A 69 -5.476 -4.724 -6.844 1.00 0.00 O ATOM 1028 ND2 ASN A 69 -6.208 -4.397 -8.905 1.00 0.00 N ATOM 0 H ASN A 69 -3.511 -1.925 -6.346 1.00 0.00 H new ATOM 0 HA ASN A 69 -3.186 -4.036 -6.485 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -3.896 -3.531 -9.367 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -3.437 -5.148 -8.871 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -7.173 -4.582 -8.630 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -5.989 -4.168 -9.875 1.00 0.00 H new ATOM 1035 N PRO A 70 -0.559 -3.846 -6.784 1.00 0.00 N ATOM 1036 CA PRO A 70 0.809 -4.280 -6.948 1.00 0.00 C ATOM 1037 C PRO A 70 1.040 -5.714 -6.443 1.00 0.00 C ATOM 1038 O PRO A 70 0.102 -6.431 -6.060 1.00 0.00 O ATOM 1039 CB PRO A 70 1.548 -3.308 -6.050 1.00 0.00 C ATOM 1040 CG PRO A 70 0.631 -3.152 -4.892 1.00 0.00 C ATOM 1041 CD PRO A 70 -0.748 -3.145 -5.482 1.00 0.00 C ATOM 0 HA PRO A 70 1.121 -4.289 -7.992 1.00 0.00 H new ATOM 0 HB2 PRO A 70 2.519 -3.699 -5.745 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.731 -2.357 -6.550 1.00 0.00 H new ATOM 0 HG2 PRO A 70 0.751 -3.970 -4.181 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.833 -2.227 -4.351 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -1.463 -3.665 -4.844 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.123 -2.131 -5.620 1.00 0.00 H new ATOM 1049 N SER A 71 2.288 -6.100 -6.451 1.00 0.00 N ATOM 1050 CA SER A 71 2.751 -7.354 -5.925 1.00 0.00 C ATOM 1051 C SER A 71 3.880 -7.015 -4.954 1.00 0.00 C ATOM 1052 O SER A 71 4.366 -5.872 -4.986 1.00 0.00 O ATOM 1053 CB SER A 71 3.262 -8.219 -7.071 1.00 0.00 C ATOM 1054 OG SER A 71 2.277 -8.317 -8.089 1.00 0.00 O ATOM 0 H SER A 71 3.037 -5.527 -6.839 1.00 0.00 H new ATOM 0 HA SER A 71 1.961 -7.908 -5.418 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.177 -7.790 -7.480 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.514 -9.213 -6.702 1.00 0.00 H new ATOM 0 HG SER A 71 2.617 -8.873 -8.821 1.00 0.00 H new ATOM 1060 N ALA A 72 4.296 -7.961 -4.114 1.00 0.00 N ATOM 1061 CA ALA A 72 5.338 -7.716 -3.102 1.00 0.00 C ATOM 1062 C ALA A 72 6.614 -7.113 -3.709 1.00 0.00 C ATOM 1063 O ALA A 72 7.143 -6.111 -3.202 1.00 0.00 O ATOM 1064 CB ALA A 72 5.659 -8.992 -2.334 1.00 0.00 C ATOM 0 H ALA A 72 3.928 -8.912 -4.110 1.00 0.00 H new ATOM 0 HA ALA A 72 4.936 -6.980 -2.406 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.431 -8.786 -1.593 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.760 -9.350 -1.832 1.00 0.00 H new ATOM 0 HB3 ALA A 72 6.016 -9.754 -3.027 1.00 0.00 H new ATOM 1070 N ASP A 73 7.065 -7.681 -4.819 1.00 0.00 N ATOM 1071 CA ASP A 73 8.279 -7.207 -5.493 1.00 0.00 C ATOM 1072 C ASP A 73 8.104 -5.772 -6.024 1.00 0.00 C ATOM 1073 O ASP A 73 9.027 -4.960 -5.944 1.00 0.00 O ATOM 1074 CB ASP A 73 8.734 -8.170 -6.617 1.00 0.00 C ATOM 1075 CG ASP A 73 7.815 -8.221 -7.819 1.00 0.00 C ATOM 1076 OD1 ASP A 73 6.786 -8.935 -7.782 1.00 0.00 O ATOM 1077 OD2 ASP A 73 8.120 -7.571 -8.832 1.00 0.00 O ATOM 0 H ASP A 73 6.612 -8.472 -5.277 1.00 0.00 H new ATOM 0 HA ASP A 73 9.071 -7.191 -4.745 1.00 0.00 H new ATOM 0 HB2 ASP A 73 9.729 -7.873 -6.950 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.823 -9.174 -6.202 1.00 0.00 H new ATOM 1082 N GLU A 74 6.902 -5.456 -6.502 1.00 0.00 N ATOM 1083 CA GLU A 74 6.566 -4.112 -7.004 1.00 0.00 C ATOM 1084 C GLU A 74 6.652 -3.081 -5.891 1.00 0.00 C ATOM 1085 O GLU A 74 7.166 -1.976 -6.082 1.00 0.00 O ATOM 1086 CB GLU A 74 5.144 -4.095 -7.565 1.00 0.00 C ATOM 1087 CG GLU A 74 4.963 -4.828 -8.866 1.00 0.00 C ATOM 1088 CD GLU A 74 5.728 -4.169 -9.977 1.00 0.00 C ATOM 1089 OE1 GLU A 74 5.474 -2.985 -10.256 1.00 0.00 O ATOM 1090 OE2 GLU A 74 6.615 -4.799 -10.559 1.00 0.00 O ATOM 0 H GLU A 74 6.129 -6.120 -6.555 1.00 0.00 H new ATOM 0 HA GLU A 74 7.282 -3.865 -7.788 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.473 -4.530 -6.824 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.837 -3.058 -7.704 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.297 -5.859 -8.754 1.00 0.00 H new ATOM 0 HG3 GLU A 74 3.904 -4.862 -9.122 1.00 0.00 H new ATOM 1097 N VAL A 75 6.142 -3.463 -4.743 1.00 0.00 N ATOM 1098 CA VAL A 75 6.105 -2.610 -3.575 1.00 0.00 C ATOM 1099 C VAL A 75 7.510 -2.355 -3.069 1.00 0.00 C ATOM 1100 O VAL A 75 7.913 -1.201 -2.860 1.00 0.00 O ATOM 1101 CB VAL A 75 5.233 -3.248 -2.459 1.00 0.00 C ATOM 1102 CG1 VAL A 75 5.254 -2.422 -1.176 1.00 0.00 C ATOM 1103 CG2 VAL A 75 3.812 -3.413 -2.954 1.00 0.00 C ATOM 0 H VAL A 75 5.736 -4.386 -4.591 1.00 0.00 H new ATOM 0 HA VAL A 75 5.656 -1.657 -3.856 1.00 0.00 H new ATOM 0 HB VAL A 75 5.654 -4.225 -2.222 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.631 -2.904 -0.423 1.00 0.00 H new ATOM 0 HG12 VAL A 75 6.277 -2.348 -0.808 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.868 -1.423 -1.380 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.203 -3.861 -2.169 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.403 -2.438 -3.219 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.805 -4.059 -3.832 1.00 0.00 H new ATOM 1113 N LYS A 76 8.266 -3.426 -2.932 1.00 0.00 N ATOM 1114 CA LYS A 76 9.618 -3.347 -2.449 1.00 0.00 C ATOM 1115 C LYS A 76 10.520 -2.496 -3.377 1.00 0.00 C ATOM 1116 O LYS A 76 11.412 -1.790 -2.911 1.00 0.00 O ATOM 1117 CB LYS A 76 10.187 -4.756 -2.164 1.00 0.00 C ATOM 1118 CG LYS A 76 11.630 -4.740 -1.721 1.00 0.00 C ATOM 1119 CD LYS A 76 12.079 -6.027 -1.062 1.00 0.00 C ATOM 1120 CE LYS A 76 13.472 -5.832 -0.495 1.00 0.00 C ATOM 1121 NZ LYS A 76 13.994 -7.025 0.187 1.00 0.00 N ATOM 0 H LYS A 76 7.955 -4.372 -3.154 1.00 0.00 H new ATOM 0 HA LYS A 76 9.605 -2.818 -1.496 1.00 0.00 H new ATOM 0 HB2 LYS A 76 9.583 -5.235 -1.393 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.097 -5.365 -3.063 1.00 0.00 H new ATOM 0 HG2 LYS A 76 12.264 -4.545 -2.586 1.00 0.00 H new ATOM 0 HG3 LYS A 76 11.778 -3.915 -1.024 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.385 -6.306 -0.269 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.078 -6.841 -1.787 1.00 0.00 H new ATOM 0 HE2 LYS A 76 14.150 -5.558 -1.303 1.00 0.00 H new ATOM 0 HE3 LYS A 76 13.458 -4.998 0.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 14.948 -6.827 0.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 13.366 -7.275 0.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 14.038 -7.818 -0.485 1.00 0.00 H new ATOM 1135 N ALA A 77 10.218 -2.505 -4.667 1.00 0.00 N ATOM 1136 CA ALA A 77 10.976 -1.730 -5.657 1.00 0.00 C ATOM 1137 C ALA A 77 10.738 -0.211 -5.510 1.00 0.00 C ATOM 1138 O ALA A 77 11.570 0.602 -5.925 1.00 0.00 O ATOM 1139 CB ALA A 77 10.643 -2.196 -7.057 1.00 0.00 C ATOM 0 H ALA A 77 9.447 -3.044 -5.062 1.00 0.00 H new ATOM 0 HA ALA A 77 12.036 -1.905 -5.471 1.00 0.00 H new ATOM 0 HB1 ALA A 77 11.213 -1.612 -7.780 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.899 -3.251 -7.160 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.577 -2.062 -7.241 1.00 0.00 H new ATOM 1145 N LYS A 78 9.602 0.175 -4.964 1.00 0.00 N ATOM 1146 CA LYS A 78 9.379 1.584 -4.647 1.00 0.00 C ATOM 1147 C LYS A 78 9.969 1.889 -3.305 1.00 0.00 C ATOM 1148 O LYS A 78 10.548 2.952 -3.109 1.00 0.00 O ATOM 1149 CB LYS A 78 7.890 1.979 -4.659 1.00 0.00 C ATOM 1150 CG LYS A 78 7.268 2.240 -6.035 1.00 0.00 C ATOM 1151 CD LYS A 78 7.928 3.425 -6.757 1.00 0.00 C ATOM 1152 CE LYS A 78 7.845 4.749 -5.955 1.00 0.00 C ATOM 1153 NZ LYS A 78 6.456 5.262 -5.809 1.00 0.00 N ATOM 0 H LYS A 78 8.829 -0.448 -4.732 1.00 0.00 H new ATOM 0 HA LYS A 78 9.867 2.169 -5.427 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.322 1.187 -4.171 1.00 0.00 H new ATOM 0 HB3 LYS A 78 7.769 2.877 -4.053 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.362 1.345 -6.650 1.00 0.00 H new ATOM 0 HG3 LYS A 78 6.202 2.436 -5.918 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.975 3.188 -6.949 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.450 3.564 -7.727 1.00 0.00 H new ATOM 0 HE2 LYS A 78 8.274 4.594 -4.965 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.454 5.505 -6.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.470 6.157 -5.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.045 5.424 -6.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 5.880 4.564 -5.295 1.00 0.00 H new ATOM 1167 N LEU A 79 9.850 0.931 -2.402 1.00 0.00 N ATOM 1168 CA LEU A 79 10.322 1.062 -1.030 1.00 0.00 C ATOM 1169 C LEU A 79 11.794 1.437 -1.016 1.00 0.00 C ATOM 1170 O LEU A 79 12.192 2.400 -0.377 1.00 0.00 O ATOM 1171 CB LEU A 79 10.135 -0.260 -0.271 1.00 0.00 C ATOM 1172 CG LEU A 79 10.353 -0.242 1.243 1.00 0.00 C ATOM 1173 CD1 LEU A 79 9.232 0.498 1.967 1.00 0.00 C ATOM 1174 CD2 LEU A 79 10.516 -1.652 1.782 1.00 0.00 C ATOM 0 H LEU A 79 9.418 0.029 -2.601 1.00 0.00 H new ATOM 0 HA LEU A 79 9.740 1.844 -0.543 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.123 -0.617 -0.461 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.817 -0.994 -0.700 1.00 0.00 H new ATOM 0 HG LEU A 79 11.276 0.304 1.435 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.424 0.489 3.040 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.190 1.529 1.615 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.281 0.006 1.764 1.00 0.00 H new ATOM 0 HD21 LEU A 79 10.670 -1.614 2.860 1.00 0.00 H new ATOM 0 HD22 LEU A 79 9.619 -2.231 1.564 1.00 0.00 H new ATOM 0 HD23 LEU A 79 11.377 -2.125 1.309 1.00 0.00 H new ATOM 1186 N VAL A 80 12.573 0.692 -1.776 1.00 0.00 N ATOM 1187 CA VAL A 80 14.015 0.879 -1.856 1.00 0.00 C ATOM 1188 C VAL A 80 14.424 2.269 -2.317 1.00 0.00 C ATOM 1189 O VAL A 80 15.417 2.813 -1.845 1.00 0.00 O ATOM 1190 CB VAL A 80 14.691 -0.207 -2.718 1.00 0.00 C ATOM 1191 CG1 VAL A 80 14.584 -1.539 -2.042 1.00 0.00 C ATOM 1192 CG2 VAL A 80 14.073 -0.274 -4.100 1.00 0.00 C ATOM 0 H VAL A 80 12.224 -0.067 -2.361 1.00 0.00 H new ATOM 0 HA VAL A 80 14.374 0.775 -0.832 1.00 0.00 H new ATOM 0 HB VAL A 80 15.743 0.056 -2.831 1.00 0.00 H new ATOM 0 HG11 VAL A 80 15.064 -2.299 -2.658 1.00 0.00 H new ATOM 0 HG12 VAL A 80 15.077 -1.495 -1.071 1.00 0.00 H new ATOM 0 HG13 VAL A 80 13.533 -1.794 -1.904 1.00 0.00 H new ATOM 0 HG21 VAL A 80 14.570 -1.048 -4.684 1.00 0.00 H new ATOM 0 HG22 VAL A 80 13.012 -0.510 -4.013 1.00 0.00 H new ATOM 0 HG23 VAL A 80 14.191 0.688 -4.598 1.00 0.00 H new ATOM 1202 N LYS A 81 13.663 2.853 -3.212 1.00 0.00 N ATOM 1203 CA LYS A 81 14.026 4.147 -3.693 1.00 0.00 C ATOM 1204 C LYS A 81 13.582 5.252 -2.738 1.00 0.00 C ATOM 1205 O LYS A 81 14.359 6.156 -2.429 1.00 0.00 O ATOM 1206 CB LYS A 81 13.556 4.402 -5.126 1.00 0.00 C ATOM 1207 CG LYS A 81 12.071 4.540 -5.319 1.00 0.00 C ATOM 1208 CD LYS A 81 11.702 4.959 -6.749 1.00 0.00 C ATOM 1209 CE LYS A 81 11.898 3.852 -7.801 1.00 0.00 C ATOM 1210 NZ LYS A 81 13.317 3.554 -8.128 1.00 0.00 N ATOM 0 H LYS A 81 12.810 2.458 -3.609 1.00 0.00 H new ATOM 0 HA LYS A 81 15.115 4.167 -3.726 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.035 5.312 -5.488 1.00 0.00 H new ATOM 0 HB3 LYS A 81 13.909 3.584 -5.754 1.00 0.00 H new ATOM 0 HG2 LYS A 81 11.588 3.591 -5.085 1.00 0.00 H new ATOM 0 HG3 LYS A 81 11.683 5.277 -4.616 1.00 0.00 H new ATOM 0 HD2 LYS A 81 10.660 5.279 -6.764 1.00 0.00 H new ATOM 0 HD3 LYS A 81 12.305 5.822 -7.030 1.00 0.00 H new ATOM 0 HE2 LYS A 81 11.422 2.939 -7.442 1.00 0.00 H new ATOM 0 HE3 LYS A 81 11.381 4.142 -8.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 13.417 3.426 -9.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 13.918 4.344 -7.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 13.610 2.684 -7.640 1.00 0.00 H new ATOM 1224 N ILE A 82 12.365 5.137 -2.214 1.00 0.00 N ATOM 1225 CA ILE A 82 11.798 6.192 -1.384 1.00 0.00 C ATOM 1226 C ILE A 82 12.383 6.205 0.027 1.00 0.00 C ATOM 1227 O ILE A 82 12.367 7.226 0.705 1.00 0.00 O ATOM 1228 CB ILE A 82 10.212 6.206 -1.390 1.00 0.00 C ATOM 1229 CG1 ILE A 82 9.561 4.894 -0.873 1.00 0.00 C ATOM 1230 CG2 ILE A 82 9.696 6.499 -2.789 1.00 0.00 C ATOM 1231 CD1 ILE A 82 9.599 4.682 0.625 1.00 0.00 C ATOM 0 H ILE A 82 11.757 4.329 -2.349 1.00 0.00 H new ATOM 0 HA ILE A 82 12.101 7.130 -1.849 1.00 0.00 H new ATOM 0 HB ILE A 82 9.924 6.994 -0.694 1.00 0.00 H new ATOM 0 HG12 ILE A 82 8.520 4.876 -1.197 1.00 0.00 H new ATOM 0 HG13 ILE A 82 10.059 4.051 -1.352 1.00 0.00 H new ATOM 0 HG21 ILE A 82 8.606 6.506 -2.781 1.00 0.00 H new ATOM 0 HG22 ILE A 82 10.063 7.472 -3.116 1.00 0.00 H new ATOM 0 HG23 ILE A 82 10.049 5.729 -3.475 1.00 0.00 H new ATOM 0 HD11 ILE A 82 9.117 3.736 0.871 1.00 0.00 H new ATOM 0 HD12 ILE A 82 10.635 4.660 0.963 1.00 0.00 H new ATOM 0 HD13 ILE A 82 9.073 5.497 1.121 1.00 0.00 H new ATOM 1243 N ALA A 83 12.924 5.071 0.448 1.00 0.00 N ATOM 1244 CA ALA A 83 13.531 4.943 1.764 1.00 0.00 C ATOM 1245 C ALA A 83 14.996 5.355 1.731 1.00 0.00 C ATOM 1246 O ALA A 83 15.713 5.218 2.727 1.00 0.00 O ATOM 1247 CB ALA A 83 13.387 3.524 2.290 1.00 0.00 C ATOM 0 H ALA A 83 12.954 4.218 -0.110 1.00 0.00 H new ATOM 0 HA ALA A 83 13.005 5.615 2.442 1.00 0.00 H new ATOM 0 HB1 ALA A 83 13.848 3.453 3.275 1.00 0.00 H new ATOM 0 HB2 ALA A 83 12.330 3.269 2.365 1.00 0.00 H new ATOM 0 HB3 ALA A 83 13.880 2.831 1.608 1.00 0.00 H new